Geometry & MOs

Info

ID:	399824
PubChem CID:	135042960
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	290.100168
ΔH_f, kcal/mol:	-90.38
Dipole, Da:	2.06
IP(EA), eV:	-9.65(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3R,4S,5S)-4,5-diacetyloxy-2,3-dihydroxycyclohexyl] acetate

Drug info:

PubChemData

Smile

CC(C)(CCC=CCC(C1=CC=CC=C1)O)O

DOS

IR

Vibrations